USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 261 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 ASN : amide:sc= -2.7 K(o=-2.7,f=-0.63!) USER MOD Set 1.2: A 7 SER OG : rot -110:sc= -0.0101 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -2.26! K(o=-2.3!,f=-0.48) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.329 K(o=-0.33,f=-2.6!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0937 USER MOD Single : A 21 THR OG1 : rot 126:sc= -0.358! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -3.71! C(o=-3.7!,f=-2.1!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 146:sc= -1.91! (180deg=-3.22!) USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= -3.73 (180deg=-5.19!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.169 -5.823 1.325 1.00 0.00 N ATOM 2 CA ASP A 1 9.141 -6.801 1.766 1.00 0.00 C ATOM 3 C ASP A 1 7.739 -6.336 1.384 1.00 0.00 C ATOM 4 O ASP A 1 6.985 -5.847 2.226 1.00 0.00 O ATOM 5 CB ASP A 1 9.250 -6.970 3.282 1.00 0.00 C ATOM 6 CG ASP A 1 9.233 -8.425 3.706 1.00 0.00 C ATOM 7 OD1 ASP A 1 9.899 -9.245 3.039 1.00 0.00 O ATOM 8 OD2 ASP A 1 8.554 -8.745 4.704 1.00 0.00 O ATOM 0 H1 ASP A 1 11.113 -6.165 1.598 1.00 0.00 H new ATOM 0 H2 ASP A 1 10.125 -5.715 0.292 1.00 0.00 H new ATOM 0 H3 ASP A 1 9.990 -4.904 1.777 1.00 0.00 H new ATOM 0 HA ASP A 1 9.315 -7.755 1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 1 10.171 -6.504 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.425 -6.445 3.763 1.00 0.00 H new ATOM 15 N HIS A 2 7.400 -6.488 0.108 1.00 0.00 N ATOM 16 CA HIS A 2 6.091 -6.082 -0.390 1.00 0.00 C ATOM 17 C HIS A 2 4.973 -6.840 0.321 1.00 0.00 C ATOM 18 O HIS A 2 4.768 -8.031 0.083 1.00 0.00 O ATOM 19 CB HIS A 2 6.002 -6.311 -1.902 1.00 0.00 C ATOM 20 CG HIS A 2 4.601 -6.294 -2.436 1.00 0.00 C ATOM 21 ND1 HIS A 2 3.973 -7.417 -2.932 1.00 0.00 N ATOM 22 CD2 HIS A 2 3.703 -5.285 -2.542 1.00 0.00 C ATOM 23 CE1 HIS A 2 2.751 -7.100 -3.321 1.00 0.00 C ATOM 24 NE2 HIS A 2 2.563 -5.814 -3.095 1.00 0.00 N ATOM 0 H HIS A 2 8.014 -6.890 -0.600 1.00 0.00 H new ATOM 0 HA HIS A 2 5.968 -5.019 -0.183 1.00 0.00 H new ATOM 0 HB2 HIS A 2 6.584 -5.543 -2.411 1.00 0.00 H new ATOM 0 HB3 HIS A 2 6.461 -7.270 -2.142 1.00 0.00 H new ATOM 0 HD2 HIS A 2 3.855 -4.257 -2.247 1.00 0.00 H new ATOM 0 HE1 HIS A 2 2.029 -7.778 -3.751 1.00 0.00 H new ATOM 0 HE2 HIS A 2 1.708 -5.296 -3.298 1.00 0.00 H new ATOM 33 N TYR A 3 4.252 -6.140 1.190 1.00 0.00 N ATOM 34 CA TYR A 3 3.152 -6.738 1.930 1.00 0.00 C ATOM 35 C TYR A 3 2.053 -7.202 0.982 1.00 0.00 C ATOM 36 O TYR A 3 1.979 -6.754 -0.163 1.00 0.00 O ATOM 37 CB TYR A 3 2.584 -5.729 2.926 1.00 0.00 C ATOM 38 CG TYR A 3 1.896 -6.369 4.106 1.00 0.00 C ATOM 39 CD1 TYR A 3 2.621 -6.770 5.218 1.00 0.00 C ATOM 40 CD2 TYR A 3 0.523 -6.573 4.106 1.00 0.00 C ATOM 41 CE1 TYR A 3 1.998 -7.359 6.299 1.00 0.00 C ATOM 42 CE2 TYR A 3 -0.109 -7.161 5.183 1.00 0.00 C ATOM 43 CZ TYR A 3 0.633 -7.553 6.278 1.00 0.00 C ATOM 44 OH TYR A 3 0.008 -8.140 7.354 1.00 0.00 O ATOM 0 H TYR A 3 4.412 -5.154 1.398 1.00 0.00 H new ATOM 0 HA TYR A 3 3.532 -7.605 2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.392 -5.093 3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.875 -5.081 2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.690 -6.619 5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.060 -6.267 3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.577 -7.667 7.157 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.178 -7.313 5.169 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.954 -8.202 7.179 1.00 0.00 H new ATOM 54 N ASN A 4 1.196 -8.096 1.465 1.00 0.00 N ATOM 55 CA ASN A 4 0.098 -8.610 0.659 1.00 0.00 C ATOM 56 C ASN A 4 -0.871 -7.486 0.311 1.00 0.00 C ATOM 57 O ASN A 4 -1.806 -7.195 1.058 1.00 0.00 O ATOM 58 CB ASN A 4 -0.616 -9.750 1.399 1.00 0.00 C ATOM 59 CG ASN A 4 -1.921 -10.175 0.751 1.00 0.00 C ATOM 60 OD1 ASN A 4 -2.865 -9.393 0.637 1.00 0.00 O ATOM 61 ND2 ASN A 4 -1.983 -11.434 0.333 1.00 0.00 N ATOM 0 H ASN A 4 1.242 -8.478 2.410 1.00 0.00 H new ATOM 0 HA ASN A 4 0.498 -9.011 -0.272 1.00 0.00 H new ATOM 0 HB2 ASN A 4 0.051 -10.611 1.451 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.815 -9.438 2.424 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.836 -11.786 -0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.177 -12.049 0.447 1.00 0.00 H new ATOM 68 N CYS A 5 -0.629 -6.857 -0.832 1.00 0.00 N ATOM 69 CA CYS A 5 -1.464 -5.762 -1.306 1.00 0.00 C ATOM 70 C CYS A 5 -2.078 -6.129 -2.648 1.00 0.00 C ATOM 71 O CYS A 5 -3.256 -6.480 -2.730 1.00 0.00 O ATOM 72 CB CYS A 5 -0.637 -4.484 -1.442 1.00 0.00 C ATOM 73 SG CYS A 5 -1.221 -3.113 -0.398 1.00 0.00 S ATOM 0 H CYS A 5 0.146 -7.090 -1.453 1.00 0.00 H new ATOM 0 HA CYS A 5 -2.260 -5.586 -0.582 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.400 -4.705 -1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.649 -4.165 -2.484 1.00 0.00 H new ATOM 78 N VAL A 6 -1.259 -6.065 -3.696 1.00 0.00 N ATOM 79 CA VAL A 6 -1.700 -6.413 -5.041 1.00 0.00 C ATOM 80 C VAL A 6 -2.299 -7.819 -5.066 1.00 0.00 C ATOM 81 O VAL A 6 -2.952 -8.207 -6.036 1.00 0.00 O ATOM 82 CB VAL A 6 -0.539 -6.329 -6.054 1.00 0.00 C ATOM 83 CG1 VAL A 6 0.422 -7.496 -5.879 1.00 0.00 C ATOM 84 CG2 VAL A 6 -1.072 -6.276 -7.478 1.00 0.00 C ATOM 0 H VAL A 6 -0.283 -5.774 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.464 -5.691 -5.329 1.00 0.00 H new ATOM 0 HB VAL A 6 0.012 -5.409 -5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.231 -7.413 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.836 -7.478 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.112 -8.433 -6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.238 -6.217 -8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.654 -7.175 -7.682 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.707 -5.398 -7.596 1.00 0.00 H new ATOM 94 N SER A 7 -2.064 -8.569 -3.987 1.00 0.00 N ATOM 95 CA SER A 7 -2.567 -9.935 -3.852 1.00 0.00 C ATOM 96 C SER A 7 -3.975 -10.066 -4.425 1.00 0.00 C ATOM 97 O SER A 7 -4.250 -10.955 -5.231 1.00 0.00 O ATOM 98 CB SER A 7 -2.573 -10.349 -2.383 1.00 0.00 C ATOM 99 OG SER A 7 -3.030 -11.682 -2.230 1.00 0.00 O ATOM 0 H SER A 7 -1.521 -8.247 -3.186 1.00 0.00 H new ATOM 0 HA SER A 7 -1.904 -10.592 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.568 -10.257 -1.972 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.213 -9.674 -1.815 1.00 0.00 H new ATOM 0 HG SER A 7 -3.912 -11.678 -1.803 1.00 0.00 H new ATOM 105 N SER A 8 -4.861 -9.171 -3.999 1.00 0.00 N ATOM 106 CA SER A 8 -6.243 -9.177 -4.464 1.00 0.00 C ATOM 107 C SER A 8 -6.520 -7.967 -5.352 1.00 0.00 C ATOM 108 O SER A 8 -7.441 -7.982 -6.168 1.00 0.00 O ATOM 109 CB SER A 8 -7.203 -9.183 -3.273 1.00 0.00 C ATOM 110 OG SER A 8 -8.191 -10.189 -3.419 1.00 0.00 O ATOM 0 H SER A 8 -4.645 -8.431 -3.331 1.00 0.00 H new ATOM 0 HA SER A 8 -6.401 -10.081 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.644 -9.349 -2.352 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.683 -8.208 -3.184 1.00 0.00 H new ATOM 0 HG SER A 8 -8.791 -10.173 -2.644 1.00 0.00 H new ATOM 116 N GLY A 9 -5.714 -6.922 -5.185 1.00 0.00 N ATOM 117 CA GLY A 9 -5.886 -5.718 -5.978 1.00 0.00 C ATOM 118 C GLY A 9 -5.497 -4.463 -5.221 1.00 0.00 C ATOM 119 O GLY A 9 -6.178 -3.441 -5.309 1.00 0.00 O ATOM 0 H GLY A 9 -4.946 -6.888 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.283 -5.794 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.926 -5.640 -6.293 1.00 0.00 H new ATOM 123 N GLY A 10 -4.399 -4.540 -4.475 1.00 0.00 N ATOM 124 CA GLY A 10 -3.938 -3.396 -3.710 1.00 0.00 C ATOM 125 C GLY A 10 -3.010 -2.499 -4.507 1.00 0.00 C ATOM 126 O GLY A 10 -2.584 -2.856 -5.606 1.00 0.00 O ATOM 0 H GLY A 10 -3.820 -5.375 -4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.798 -2.817 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.421 -3.745 -2.816 1.00 0.00 H new ATOM 130 N GLN A 11 -2.698 -1.332 -3.951 1.00 0.00 N ATOM 131 CA GLN A 11 -1.816 -0.377 -4.614 1.00 0.00 C ATOM 132 C GLN A 11 -0.934 0.343 -3.600 1.00 0.00 C ATOM 133 O GLN A 11 -1.356 0.609 -2.474 1.00 0.00 O ATOM 134 CB GLN A 11 -2.638 0.642 -5.406 1.00 0.00 C ATOM 135 CG GLN A 11 -2.157 0.832 -6.835 1.00 0.00 C ATOM 136 CD GLN A 11 -3.299 0.899 -7.831 1.00 0.00 C ATOM 137 OE1 GLN A 11 -4.471 0.858 -7.455 1.00 0.00 O ATOM 138 NE2 GLN A 11 -2.962 1.001 -9.112 1.00 0.00 N ATOM 0 H GLN A 11 -3.043 -1.025 -3.042 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.174 -0.929 -5.300 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.680 0.323 -5.422 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.606 1.602 -4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.571 1.749 -6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.493 0.010 -7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.978 1.032 -9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.687 1.049 -9.828 1.00 0.00 H new ATOM 147 N CYS A 12 0.293 0.656 -4.006 1.00 0.00 N ATOM 148 CA CYS A 12 1.237 1.347 -3.135 1.00 0.00 C ATOM 149 C CYS A 12 1.213 2.850 -3.392 1.00 0.00 C ATOM 150 O CYS A 12 1.220 3.293 -4.541 1.00 0.00 O ATOM 151 CB CYS A 12 2.649 0.801 -3.348 1.00 0.00 C ATOM 152 SG CYS A 12 2.699 -0.967 -3.790 1.00 0.00 S ATOM 0 H CYS A 12 0.657 0.441 -4.934 1.00 0.00 H new ATOM 0 HA CYS A 12 0.939 1.170 -2.101 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.135 1.376 -4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.228 0.954 -2.438 1.00 0.00 H new ATOM 157 N LEU A 13 1.183 3.629 -2.315 1.00 0.00 N ATOM 158 CA LEU A 13 1.155 5.083 -2.422 1.00 0.00 C ATOM 159 C LEU A 13 2.332 5.705 -1.677 1.00 0.00 C ATOM 160 O LEU A 13 2.837 5.136 -0.710 1.00 0.00 O ATOM 161 CB LEU A 13 -0.161 5.634 -1.864 1.00 0.00 C ATOM 162 CG LEU A 13 -1.357 5.584 -2.822 1.00 0.00 C ATOM 163 CD1 LEU A 13 -1.012 6.235 -4.153 1.00 0.00 C ATOM 164 CD2 LEU A 13 -1.814 4.147 -3.032 1.00 0.00 C ATOM 0 H LEU A 13 1.177 3.277 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 13 1.233 5.345 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.416 5.075 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.002 6.669 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.176 6.144 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.876 6.187 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.738 7.277 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.175 5.708 -4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.664 4.131 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.997 3.564 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.109 3.716 -2.076 1.00 0.00 H new ATOM 176 N TYR A 14 2.761 6.878 -2.131 1.00 0.00 N ATOM 177 CA TYR A 14 3.877 7.579 -1.504 1.00 0.00 C ATOM 178 C TYR A 14 3.383 8.478 -0.375 1.00 0.00 C ATOM 179 O TYR A 14 4.160 9.218 0.229 1.00 0.00 O ATOM 180 CB TYR A 14 4.635 8.408 -2.542 1.00 0.00 C ATOM 181 CG TYR A 14 5.288 7.574 -3.621 1.00 0.00 C ATOM 182 CD1 TYR A 14 4.567 7.159 -4.734 1.00 0.00 C ATOM 183 CD2 TYR A 14 6.622 7.198 -3.525 1.00 0.00 C ATOM 184 CE1 TYR A 14 5.158 6.393 -5.721 1.00 0.00 C ATOM 185 CE2 TYR A 14 7.220 6.433 -4.509 1.00 0.00 C ATOM 186 CZ TYR A 14 6.483 6.033 -5.604 1.00 0.00 C ATOM 187 OH TYR A 14 7.074 5.270 -6.584 1.00 0.00 O ATOM 0 H TYR A 14 2.353 7.363 -2.930 1.00 0.00 H new ATOM 0 HA TYR A 14 4.554 6.835 -1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.945 9.113 -3.006 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.400 8.997 -2.036 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.528 7.439 -4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.201 7.508 -2.668 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.584 6.078 -6.580 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.259 6.150 -4.421 1.00 0.00 H new ATOM 0 HH TYR A 14 8.011 5.105 -6.350 1.00 0.00 H new ATOM 197 N SER A 15 2.085 8.404 -0.096 1.00 0.00 N ATOM 198 CA SER A 15 1.478 9.207 0.960 1.00 0.00 C ATOM 199 C SER A 15 0.226 8.529 1.506 1.00 0.00 C ATOM 200 O SER A 15 -0.110 7.414 1.106 1.00 0.00 O ATOM 201 CB SER A 15 1.132 10.600 0.433 1.00 0.00 C ATOM 202 OG SER A 15 0.949 11.518 1.496 1.00 0.00 O ATOM 0 H SER A 15 1.432 7.794 -0.588 1.00 0.00 H new ATOM 0 HA SER A 15 2.199 9.303 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.929 10.952 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.224 10.549 -0.168 1.00 0.00 H new ATOM 0 HG SER A 15 0.730 12.401 1.132 1.00 0.00 H new ATOM 208 N ALA A 16 -0.455 9.211 2.422 1.00 0.00 N ATOM 209 CA ALA A 16 -1.672 8.682 3.031 1.00 0.00 C ATOM 210 C ALA A 16 -2.650 8.181 1.974 1.00 0.00 C ATOM 211 O ALA A 16 -2.848 8.826 0.944 1.00 0.00 O ATOM 212 CB ALA A 16 -2.331 9.744 3.898 1.00 0.00 C ATOM 0 H ALA A 16 -0.184 10.134 2.760 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.393 7.834 3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.237 9.337 4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.642 10.049 4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.586 10.608 3.284 1.00 0.00 H new ATOM 218 N CYS A 17 -3.255 7.025 2.241 1.00 0.00 N ATOM 219 CA CYS A 17 -4.217 6.423 1.321 1.00 0.00 C ATOM 220 C CYS A 17 -5.219 7.458 0.809 1.00 0.00 C ATOM 221 O CYS A 17 -5.590 8.383 1.531 1.00 0.00 O ATOM 222 CB CYS A 17 -4.958 5.274 2.007 1.00 0.00 C ATOM 223 SG CYS A 17 -5.101 3.773 0.986 1.00 0.00 S ATOM 0 H CYS A 17 -3.095 6.485 3.091 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.663 6.034 0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.441 5.023 2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.958 5.612 2.281 1.00 0.00 H new ATOM 228 N PRO A 18 -5.671 7.318 -0.453 1.00 0.00 N ATOM 229 CA PRO A 18 -6.621 8.237 -1.060 1.00 0.00 C ATOM 230 C PRO A 18 -8.072 7.804 -0.855 1.00 0.00 C ATOM 231 O PRO A 18 -8.761 8.321 0.025 1.00 0.00 O ATOM 232 CB PRO A 18 -6.240 8.183 -2.540 1.00 0.00 C ATOM 233 CG PRO A 18 -5.586 6.847 -2.751 1.00 0.00 C ATOM 234 CD PRO A 18 -5.288 6.256 -1.392 1.00 0.00 C ATOM 0 HA PRO A 18 -6.571 9.234 -0.623 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.120 8.291 -3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.560 8.995 -2.798 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.242 6.187 -3.319 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.668 6.958 -3.328 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.860 5.344 -1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.234 5.995 -1.292 1.00 0.00 H new ATOM 242 N ILE A 19 -8.529 6.859 -1.675 1.00 0.00 N ATOM 243 CA ILE A 19 -9.897 6.355 -1.591 1.00 0.00 C ATOM 244 C ILE A 19 -10.218 5.819 -0.190 1.00 0.00 C ATOM 245 O ILE A 19 -9.428 5.976 0.741 1.00 0.00 O ATOM 246 CB ILE A 19 -10.146 5.266 -2.655 1.00 0.00 C ATOM 247 CG1 ILE A 19 -11.622 5.235 -3.058 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.692 3.899 -2.162 1.00 0.00 C ATOM 249 CD1 ILE A 19 -11.872 4.553 -4.386 1.00 0.00 C ATOM 0 H ILE A 19 -7.968 6.426 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.565 7.193 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.554 5.515 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.191 4.722 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.998 6.257 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.881 3.153 -2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.626 3.929 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.244 3.636 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.939 4.568 -4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.331 5.079 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.526 3.520 -4.335 1.00 0.00 H new ATOM 261 N PHE A 20 -11.384 5.193 -0.044 1.00 0.00 N ATOM 262 CA PHE A 20 -11.808 4.647 1.244 1.00 0.00 C ATOM 263 C PHE A 20 -11.074 3.347 1.584 1.00 0.00 C ATOM 264 O PHE A 20 -11.654 2.437 2.177 1.00 0.00 O ATOM 265 CB PHE A 20 -13.322 4.404 1.249 1.00 0.00 C ATOM 266 CG PHE A 20 -13.877 3.963 -0.079 1.00 0.00 C ATOM 267 CD1 PHE A 20 -13.360 2.853 -0.730 1.00 0.00 C ATOM 268 CD2 PHE A 20 -14.917 4.659 -0.674 1.00 0.00 C ATOM 269 CE1 PHE A 20 -13.870 2.448 -1.950 1.00 0.00 C ATOM 270 CE2 PHE A 20 -15.430 4.258 -1.893 1.00 0.00 C ATOM 271 CZ PHE A 20 -14.907 3.151 -2.531 1.00 0.00 C ATOM 0 H PHE A 20 -12.052 5.051 -0.802 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.555 5.384 2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -13.555 3.647 1.998 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -13.826 5.321 1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.550 2.299 -0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -15.332 5.525 -0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.458 1.583 -2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -16.240 4.810 -2.346 1.00 0.00 H new ATOM 0 HZ PHE A 20 -15.308 2.835 -3.483 1.00 0.00 H new ATOM 281 N THR A 21 -9.796 3.268 1.221 1.00 0.00 N ATOM 282 CA THR A 21 -8.996 2.081 1.507 1.00 0.00 C ATOM 283 C THR A 21 -8.394 2.162 2.907 1.00 0.00 C ATOM 284 O THR A 21 -8.843 2.954 3.736 1.00 0.00 O ATOM 285 CB THR A 21 -7.863 1.901 0.479 1.00 0.00 C ATOM 286 OG1 THR A 21 -7.642 3.125 -0.228 1.00 0.00 O ATOM 287 CG2 THR A 21 -8.201 0.794 -0.508 1.00 0.00 C ATOM 0 H THR A 21 -9.294 4.008 0.730 1.00 0.00 H new ATOM 0 HA THR A 21 -9.663 1.221 1.445 1.00 0.00 H new ATOM 0 HB THR A 21 -6.956 1.625 1.016 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.698 3.378 -0.157 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.387 0.684 -1.225 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.339 -0.144 0.030 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.119 1.047 -1.038 1.00 0.00 H new ATOM 295 N LYS A 22 -7.380 1.342 3.170 1.00 0.00 N ATOM 296 CA LYS A 22 -6.732 1.335 4.477 1.00 0.00 C ATOM 297 C LYS A 22 -5.302 0.811 4.390 1.00 0.00 C ATOM 298 O LYS A 22 -5.066 -0.315 3.951 1.00 0.00 O ATOM 299 CB LYS A 22 -7.537 0.487 5.464 1.00 0.00 C ATOM 300 CG LYS A 22 -7.978 -0.854 4.899 1.00 0.00 C ATOM 301 CD LYS A 22 -9.282 -1.321 5.525 1.00 0.00 C ATOM 302 CE LYS A 22 -10.223 -1.903 4.482 1.00 0.00 C ATOM 303 NZ LYS A 22 -11.481 -2.416 5.092 1.00 0.00 N ATOM 0 H LYS A 22 -6.992 0.678 2.500 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.694 2.365 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.936 0.315 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.418 1.047 5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.101 -0.772 3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.201 -1.598 5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.073 -2.072 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.766 -0.483 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.463 -1.138 3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.721 -2.712 3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.095 -2.804 4.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.254 -3.164 5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.974 -1.639 5.577 1.00 0.00 H new ATOM 317 N ILE A 23 -4.353 1.635 4.824 1.00 0.00 N ATOM 318 CA ILE A 23 -2.943 1.260 4.811 1.00 0.00 C ATOM 319 C ILE A 23 -2.640 0.283 5.944 1.00 0.00 C ATOM 320 O ILE A 23 -2.929 0.558 7.108 1.00 0.00 O ATOM 321 CB ILE A 23 -2.024 2.502 4.934 1.00 0.00 C ATOM 322 CG1 ILE A 23 -0.660 2.118 5.525 1.00 0.00 C ATOM 323 CG2 ILE A 23 -2.691 3.580 5.781 1.00 0.00 C ATOM 324 CD1 ILE A 23 0.241 3.302 5.810 1.00 0.00 C ATOM 0 H ILE A 23 -4.536 2.569 5.190 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.741 0.778 3.854 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.859 2.902 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.819 1.564 6.450 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.152 1.445 4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.031 4.444 5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.630 3.880 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.890 3.188 6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.185 2.949 6.225 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.432 3.845 4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.245 3.965 6.526 1.00 0.00 H new ATOM 336 N GLN A 24 -2.060 -0.860 5.593 1.00 0.00 N ATOM 337 CA GLN A 24 -1.723 -1.881 6.579 1.00 0.00 C ATOM 338 C GLN A 24 -0.227 -1.879 6.883 1.00 0.00 C ATOM 339 O GLN A 24 0.179 -1.964 8.043 1.00 0.00 O ATOM 340 CB GLN A 24 -2.153 -3.260 6.075 1.00 0.00 C ATOM 341 CG GLN A 24 -3.368 -3.823 6.798 1.00 0.00 C ATOM 342 CD GLN A 24 -4.590 -2.932 6.676 1.00 0.00 C ATOM 343 OE1 GLN A 24 -4.678 -1.887 7.321 1.00 0.00 O ATOM 344 NE2 GLN A 24 -5.544 -3.345 5.849 1.00 0.00 N ATOM 0 H GLN A 24 -1.814 -1.103 4.633 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.258 -1.652 7.501 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.373 -3.195 5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.320 -3.954 6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.601 -4.808 6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.127 -3.959 7.852 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.430 -4.218 5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.391 -2.789 5.729 1.00 0.00 H new ATOM 353 N GLY A 25 0.588 -1.783 5.837 1.00 0.00 N ATOM 354 CA GLY A 25 2.028 -1.774 6.017 1.00 0.00 C ATOM 355 C GLY A 25 2.739 -0.914 4.990 1.00 0.00 C ATOM 356 O GLY A 25 2.232 0.135 4.591 1.00 0.00 O ATOM 0 H GLY A 25 0.277 -1.711 4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.263 -1.409 7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.405 -2.795 5.954 1.00 0.00 H new ATOM 360 N THR A 26 3.918 -1.358 4.562 1.00 0.00 N ATOM 361 CA THR A 26 4.702 -0.622 3.577 1.00 0.00 C ATOM 362 C THR A 26 4.945 -1.461 2.326 1.00 0.00 C ATOM 363 O THR A 26 5.195 -2.663 2.411 1.00 0.00 O ATOM 364 CB THR A 26 6.059 -0.181 4.156 1.00 0.00 C ATOM 365 OG1 THR A 26 6.315 -0.870 5.386 1.00 0.00 O ATOM 366 CG2 THR A 26 6.082 1.321 4.397 1.00 0.00 C ATOM 0 H THR A 26 4.351 -2.224 4.883 1.00 0.00 H new ATOM 0 HA THR A 26 4.123 0.262 3.310 1.00 0.00 H new ATOM 0 HB THR A 26 6.835 -0.429 3.432 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.181 -0.585 5.747 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.050 1.609 4.806 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.916 1.843 3.455 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.296 1.588 5.103 1.00 0.00 H new ATOM 374 N CYS A 27 4.871 -0.816 1.164 1.00 0.00 N ATOM 375 CA CYS A 27 5.084 -1.498 -0.108 1.00 0.00 C ATOM 376 C CYS A 27 6.565 -1.544 -0.458 1.00 0.00 C ATOM 377 O CYS A 27 7.233 -2.557 -0.250 1.00 0.00 O ATOM 378 CB CYS A 27 4.315 -0.790 -1.224 1.00 0.00 C ATOM 379 SG CYS A 27 4.337 -1.672 -2.818 1.00 0.00 S ATOM 0 H CYS A 27 4.665 0.179 1.078 1.00 0.00 H new ATOM 0 HA CYS A 27 4.717 -2.519 -0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.280 -0.656 -0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.736 0.205 -1.366 1.00 0.00 H new ATOM 384 N TYR A 28 7.068 -0.436 -0.993 1.00 0.00 N ATOM 385 CA TYR A 28 8.473 -0.335 -1.377 1.00 0.00 C ATOM 386 C TYR A 28 9.384 -0.541 -0.171 1.00 0.00 C ATOM 387 O TYR A 28 8.919 -0.869 0.922 1.00 0.00 O ATOM 388 CB TYR A 28 8.753 1.032 -2.011 1.00 0.00 C ATOM 389 CG TYR A 28 8.239 1.171 -3.429 1.00 0.00 C ATOM 390 CD1 TYR A 28 6.965 0.737 -3.777 1.00 0.00 C ATOM 391 CD2 TYR A 28 9.029 1.741 -4.420 1.00 0.00 C ATOM 392 CE1 TYR A 28 6.495 0.865 -5.070 1.00 0.00 C ATOM 393 CE2 TYR A 28 8.566 1.874 -5.715 1.00 0.00 C ATOM 394 CZ TYR A 28 7.298 1.434 -6.035 1.00 0.00 C ATOM 395 OH TYR A 28 6.833 1.565 -7.323 1.00 0.00 O ATOM 0 H TYR A 28 6.522 0.407 -1.171 1.00 0.00 H new ATOM 0 HA TYR A 28 8.681 -1.118 -2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.299 1.807 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.828 1.210 -2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.332 0.292 -3.024 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.022 2.086 -4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.503 0.521 -5.323 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.193 2.320 -6.473 1.00 0.00 H new ATOM 0 HH TYR A 28 7.522 1.986 -7.878 1.00 0.00 H new ATOM 405 N ARG A 29 10.684 -0.343 -0.375 1.00 0.00 N ATOM 406 CA ARG A 29 11.663 -0.502 0.697 1.00 0.00 C ATOM 407 C ARG A 29 11.244 0.281 1.939 1.00 0.00 C ATOM 408 O ARG A 29 11.588 -0.086 3.062 1.00 0.00 O ATOM 409 CB ARG A 29 13.044 -0.039 0.229 1.00 0.00 C ATOM 410 CG ARG A 29 13.106 1.437 -0.127 1.00 0.00 C ATOM 411 CD ARG A 29 13.953 2.214 0.868 1.00 0.00 C ATOM 412 NE ARG A 29 13.737 3.654 0.766 1.00 0.00 N ATOM 413 CZ ARG A 29 14.515 4.468 0.058 1.00 0.00 C ATOM 414 NH1 ARG A 29 15.550 3.983 -0.614 1.00 0.00 N ATOM 415 NH2 ARG A 29 14.257 5.768 0.020 1.00 0.00 N ATOM 0 H ARG A 29 11.084 -0.072 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 29 11.711 -1.560 0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.772 -0.245 1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.339 -0.626 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.520 1.554 -1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.097 1.850 -0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.718 1.883 1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.007 1.993 0.697 1.00 0.00 H new ATOM 0 HE ARG A 29 12.945 4.059 1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.751 2.983 -0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.145 4.610 -1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.461 6.145 0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.855 6.391 -0.523 1.00 0.00 H new ATOM 429 N GLY A 30 10.497 1.361 1.726 1.00 0.00 N ATOM 430 CA GLY A 30 10.040 2.181 2.833 1.00 0.00 C ATOM 431 C GLY A 30 9.600 3.562 2.390 1.00 0.00 C ATOM 432 O GLY A 30 9.369 4.443 3.219 1.00 0.00 O ATOM 0 H GLY A 30 10.200 1.683 0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.210 1.682 3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.842 2.276 3.565 1.00 0.00 H new ATOM 436 N LYS A 31 9.486 3.754 1.079 1.00 0.00 N ATOM 437 CA LYS A 31 9.073 5.040 0.528 1.00 0.00 C ATOM 438 C LYS A 31 7.578 5.054 0.223 1.00 0.00 C ATOM 439 O LYS A 31 6.984 6.115 0.036 1.00 0.00 O ATOM 440 CB LYS A 31 9.867 5.354 -0.742 1.00 0.00 C ATOM 441 CG LYS A 31 10.566 6.703 -0.703 1.00 0.00 C ATOM 442 CD LYS A 31 10.549 7.381 -2.064 1.00 0.00 C ATOM 443 CE LYS A 31 11.919 7.928 -2.430 1.00 0.00 C ATOM 444 NZ LYS A 31 11.981 8.364 -3.853 1.00 0.00 N ATOM 0 H LYS A 31 9.674 3.036 0.379 1.00 0.00 H new ATOM 0 HA LYS A 31 9.277 5.806 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.611 4.573 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.193 5.328 -1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.078 7.345 0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.597 6.570 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.226 6.668 -2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.821 8.193 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.159 8.771 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.675 7.163 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.931 8.731 -4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.777 7.554 -4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.277 9.112 -4.018 1.00 0.00 H new ATOM 458 N ALA A 32 6.975 3.870 0.177 1.00 0.00 N ATOM 459 CA ALA A 32 5.550 3.748 -0.103 1.00 0.00 C ATOM 460 C ALA A 32 4.893 2.768 0.855 1.00 0.00 C ATOM 461 O ALA A 32 5.530 1.829 1.330 1.00 0.00 O ATOM 462 CB ALA A 32 5.328 3.312 -1.544 1.00 0.00 C ATOM 0 H ALA A 32 7.452 2.982 0.330 1.00 0.00 H new ATOM 0 HA ALA A 32 5.089 4.725 0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.259 3.225 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.760 4.051 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.806 2.347 -1.710 1.00 0.00 H new ATOM 468 N LYS A 33 3.616 2.994 1.134 1.00 0.00 N ATOM 469 CA LYS A 33 2.869 2.128 2.036 1.00 0.00 C ATOM 470 C LYS A 33 1.857 1.289 1.267 1.00 0.00 C ATOM 471 O LYS A 33 1.252 1.755 0.302 1.00 0.00 O ATOM 472 CB LYS A 33 2.154 2.954 3.109 1.00 0.00 C ATOM 473 CG LYS A 33 1.817 4.376 2.678 1.00 0.00 C ATOM 474 CD LYS A 33 0.735 4.406 1.607 1.00 0.00 C ATOM 475 CE LYS A 33 -0.565 3.787 2.099 1.00 0.00 C ATOM 476 NZ LYS A 33 -1.474 4.804 2.696 1.00 0.00 N ATOM 0 H LYS A 33 3.076 3.769 0.749 1.00 0.00 H new ATOM 0 HA LYS A 33 3.579 1.459 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.233 2.444 3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.782 2.995 3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.486 4.948 3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.716 4.863 2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.554 5.437 1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.082 3.869 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.069 3.293 1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.344 3.019 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.462 4.547 2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.327 4.839 3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.269 5.737 2.285 1.00 0.00 H new ATOM 490 N CYS A 34 1.679 0.047 1.702 1.00 0.00 N ATOM 491 CA CYS A 34 0.740 -0.859 1.056 1.00 0.00 C ATOM 492 C CYS A 34 -0.689 -0.555 1.495 1.00 0.00 C ATOM 493 O CYS A 34 -0.989 -0.529 2.689 1.00 0.00 O ATOM 494 CB CYS A 34 1.098 -2.311 1.383 1.00 0.00 C ATOM 495 SG CYS A 34 -0.325 -3.450 1.391 1.00 0.00 S ATOM 0 H CYS A 34 2.173 -0.354 2.499 1.00 0.00 H new ATOM 0 HA CYS A 34 0.806 -0.714 -0.022 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.828 -2.666 0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.580 -2.343 2.360 1.00 0.00 H new ATOM 500 N CYS A 35 -1.564 -0.325 0.522 1.00 0.00 N ATOM 501 CA CYS A 35 -2.962 -0.020 0.802 1.00 0.00 C ATOM 502 C CYS A 35 -3.886 -0.967 0.043 1.00 0.00 C ATOM 503 O CYS A 35 -3.634 -1.298 -1.116 1.00 0.00 O ATOM 504 CB CYS A 35 -3.272 1.428 0.417 1.00 0.00 C ATOM 505 SG CYS A 35 -3.772 2.484 1.815 1.00 0.00 S ATOM 0 H CYS A 35 -1.329 -0.344 -0.470 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.133 -0.152 1.870 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.391 1.863 -0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.067 1.431 -0.328 1.00 0.00 H new ATOM 510 N LYS A 36 -4.958 -1.397 0.702 1.00 0.00 N ATOM 511 CA LYS A 36 -5.922 -2.303 0.086 1.00 0.00 C ATOM 512 C LYS A 36 -7.248 -2.284 0.843 1.00 0.00 C ATOM 513 O LYS A 36 -8.218 -2.896 0.350 1.00 0.00 O ATOM 514 CB LYS A 36 -5.360 -3.729 0.037 1.00 0.00 C ATOM 515 CG LYS A 36 -5.454 -4.474 1.360 1.00 0.00 C ATOM 516 CD LYS A 36 -4.123 -4.476 2.094 1.00 0.00 C ATOM 517 CE LYS A 36 -4.050 -3.352 3.114 1.00 0.00 C ATOM 518 NZ LYS A 36 -2.923 -2.419 2.834 1.00 0.00 N ATOM 519 OXT LYS A 36 -7.303 -1.657 1.922 1.00 0.00 O ATOM 0 H LYS A 36 -5.181 -1.133 1.662 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.105 -1.962 -0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.895 -4.294 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.315 -3.687 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.216 -4.010 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.772 -5.501 1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.984 -5.434 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.310 -4.371 1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.989 -2.798 3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.932 -3.775 4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.112 -1.501 3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.040 -2.817 3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.829 -2.286 1.807 1.00 0.00 H new TER 533 LYS A 36